Compound Detail
CHEMBL1160853
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Basic Information
| ChEMBL ID | CHEMBL1160853 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XKXGOQZSTRVCBQ-BJMVGYQFSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
194.2
MW (Da)
0.02
ALogP
4
HBA
4
HBD
103.2
PSA (Ų)
0.23
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 4.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mycobacterium tuberculosis CHEMBL360 | IC50 | 4.96 | 4.89 | 11000.0 | 2 |
| Yersinia pestis CHEMBL614597 | IC50 | 4.16 | 4.16 | 70000.0 | 1 |
| HL-60 CHEMBL383 | IC50 | 4.02 | 4.02 | 95000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mycobacterium tuberculosis | IC50 | = | 11000.0 | nM | 4.96 | Antimicrobial activity against Mycobacterium tuberculosis H37Rv in GASTD medium ... | 21940166 |
| Mycobacterium tuberculosis | IC50 | = | 15000.0 | nM | 4.82 | Antimicrobial activity against Mycobacterium tuberculosis H37Rv in GASTD medium ... | 21940166 |
| Yersinia pestis | IC50 | = | 70000.0 | nM | 4.16 | Antimicrobial activity against Yersinia pestis KIM6-2082.1+ in PMHD medium after... | 21940166 |
| HL-60 | IC50 | = | 95000.0 | nM | 4.02 | Anticancer activity against human HL60 cells | 21536434 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21940166 | 10.1016/j.bmcl.2011.08.052 | Yersinia pestis | 7 |
| 21940166 | 10.1016/j.bmcl.2011.08.052 | Mycobacterium tuberculosis | 7 |
| 15163191 | 10.1021/jm031127c | Xanthine dehydrogenase/oxidase | 1 |
| 21536434 | 10.1016/j.bmcl.2011.04.009 | HL-60 | 1 |
| 21536434 | 10.1016/j.bmcl.2011.04.009 | HeLa | 1 |
| 21536434 | 10.1016/j.bmcl.2011.04.009 | Vero | 1 |
Data from ChEMBL 36 via Core Engine